SCHEMBL876802

SCHEMBL876802

C=CCOC(=O)C(CCO)N(c1ccc(-c2ccc(Cl)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MAPK1 P28482 1/20 0.35
CACNA1D Q01668 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 1/20 0.32
NR4A2 P43354 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL876803 1.00 RORC (0.36) RORCMMP2MMP9MAPK1CACNA1D
SCHEMBL877194 0.84 RAB9A (0.35) MEN1KMT2AMAPTSMN1; SMN2RXRA
SCHEMBL877592 0.80 MMP2 (0.41) MMP2MMP9
SCHEMBL875347 0.70 MEN1 (0.36) MMP2MMP9CACNA1DGAAMEN1
SCHEMBL4059596 0.67 MMP2 (0.47) RORCMMP2MMP9MAPK1PPARG
SCHEMBL28325495 0.65 CYP3A4 (0.38) MAPK1GAAMEN1KMT2ACHRNB2
SCHEMBL2278952 0.64 MAPK1 (0.54) MAPK1GAAMEN1KMT2ATP53
SCHEMBL5356165 0.64 MEN1 (0.46) CACNA1DGAAMEN1KMT2AMAPT
SCHEMBL6325501 0.63 HSD11B1 (0.47) RORCMAPK1TP53MAPTSMN1; SMN2
SCHEMBL6722425 0.62 LMNA (0.46) MMP2MMP9SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed